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4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Pouzieux, S, Delarbre, L, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4USD
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BU of 4usd by Molmil
Human STK10 (LOK) with SB-633825
Descriptor: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
Authors:Pouzieux, S, Maignan, S, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4USF
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BU of 4usf by Molmil
Human SLK with SB-440719
Descriptor: 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4WHZ
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BU of 4whz by Molmil
Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives
Descriptor: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.
Deposit date:2014-09-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives.
J.Med.Chem., 57, 2014
4WG7
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BU of 4wg7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a nano focused beam.
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kappe, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
Deposit date:2014-09-18
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WLT
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BU of 4wlt by Molmil
High pressure protein crystallography of hen egg white lysozyme at 190 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WFU
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BU of 4wfu by Molmil
Bovine allergen Bos d 2 in the trigonal space group P3221.
Descriptor: Allergen Bos d 2
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2014-09-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dimerization of lipocalin allergens.
Sci Rep, 5, 2015
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
Descriptor: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
4WM6
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BU of 4wm6 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 950 MPa
Descriptor: Lysozyme C, SODIUM ION
Authors:Yamada, H, Watanabe, N, Nagae, T.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WG1
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BU of 4wg1 by Molmil
Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
Deposit date:2014-09-17
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WPZ
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BU of 4wpz by Molmil
Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis
Descriptor: Cytochrome P450, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H.
Deposit date:2014-10-21
Release date:2015-04-22
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A.
Arch.Biochem.Biophys., 575, 2015
4WM2
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BU of 4wm2 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 600 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WNT
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BU of 4wnt by Molmil
Human Cytochrome P450 2D6 Ajmalicine Complex
Descriptor: Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WOC
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BU of 4woc by Molmil
Proteinase-K Post-Surface Acoustic Waves
Descriptor: Proteinase K, SULFATE ION
Authors:French, J.B.
Deposit date:2014-10-15
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves.
Small, 11, 2015
4WW3
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BU of 4ww3 by Molmil
Crystal structure of the lumi intermediate of squid rhodopsin
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DOCOSANE, PALMITIC ACID, ...
Authors:Murakami, M, Kouyama, T.
Deposit date:2014-11-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic Study of the LUMI Intermediate of Squid Rhodopsin
Plos One, 10, 2015
4WM1
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BU of 4wm1 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 500 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4WO9
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BU of 4wo9 by Molmil
Lysozyme Post-Surface Acoustic Waves
Descriptor: Lysozyme C, SODIUM ION
Authors:French, J.B.
Deposit date:2014-10-15
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves.
Small, 11, 2015
4WNP
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BU of 4wnp by Molmil
Structure of ULK1 bound to a potent inhibitor
Descriptor: GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, Serine/threonine-protein kinase ULK1
Authors:Lazarus, M.B, Novotny, C.J, Shokat, K.M.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure of the Human Autophagy Initiating Kinase ULK1 in Complex with Potent Inhibitors.
Acs Chem.Biol., 10, 2015
4WQQ
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BU of 4wqq by Molmil
Structure of EPNH mutant of CEL-I
Descriptor: CALCIUM ION, Lectin CEL-I, N-acetyl-D-galactosamine-specific C-type, ...
Authors:Unno, H, Hatakeyama, T.
Deposit date:2014-10-22
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mannose-recognition mutant of the galactose/N-acetylgalactosamine-specific C-type lectin CEL-I engineered by site-directed mutagenesis.
Biochim.Biophys.Acta, 1850, 2015
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
Descriptor: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
4WFV
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BU of 4wfv by Molmil
Bovine allergen Bos d 2 in the monoclinic space group C2.
Descriptor: Allergen Bos d 2
Authors:Niemi, M.H, Rouvinen, J.
Deposit date:2014-09-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Dimerization of lipocalin allergens.
Sci Rep, 5, 2015
4WFT
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BU of 4wft by Molmil
Crystal structure of tRNA-dihydrouridine(20) synthase dsRBD domain
Descriptor: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
Authors:Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D.
Deposit date:2014-09-17
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An extended dsRBD is required for post-transcriptional modification in human tRNAs.
Nucleic Acids Res., 43, 2015
4WG2
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BU of 4wg2 by Molmil
P411BM3-CIS T438S I263F regioselective C-H amination catalyst
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-09-17
Release date:2014-11-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination.
J.Am.Chem.Soc., 136, 2014
4WL6
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BU of 4wl6 by Molmil
Raster-scanning protein crystallography using micro and nano-focused synchrotron beams
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
Deposit date:2014-10-06
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015

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